Information card for entry 1552834

Structure parameters

• Formula: C42 H39 P
• Calculated formula: C42 H39 P
• SMILES: P(C)(C(c1ccccc1)c1ccccc1)c1c(cc(cc1CC(c1ccccc1)(c1ccccc1)c1ccccc1)C)C
• Title of publication: An Addition–Isomerization Mechanism for the Anionic Polymerization of MesP═CPh2 and m-XylP═CPh2
• Authors of publication: Rawe, Benjamin W.; Priegert, Andrew M.; Wang, Shuai; Schiller, Carl; Gerke, Sonja; Gates, Derek P.
• Journal of publication: Macromolecules
• Year of publication: 2018
• Journal volume: 51
• Journal issue: 7
• Pages of publication: 2621
• a: 9.879 ± 0.0012 Å
• b: 12.3423 ± 0.0014 Å
• c: 15.4553 ± 0.0017 Å
• α: 104.703 ± 0.005°
• β: 101.12 ± 0.005°
• γ: 112.177 ± 0.004°
• Cell volume: 1597.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0886
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.1287
• Weighted residual factors for all reflections included in the refinement: 0.1446
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No